CID 121553352

Methyl 2-(azidomethyl)-1,3-oxazole-4-carboxylate

Structural Information

Molecular Formula
C6H6N4O3
SMILES
COC(=O)C1=COC(=N1)CN=[N+]=[N-]
InChI
InChI=1S/C6H6N4O3/c1-12-6(11)4-3-13-5(9-4)2-8-10-7/h3H,2H2,1H3
InChIKey
UPVBKNJWBCHLPE-UHFFFAOYSA-N
Compound name
methyl 2-(azidomethyl)-1,3-oxazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.04399 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.05127 135.1
[M+Na]+ 205.03321 145.9
[M+NH4]+ 200.07781 141.9
[M+K]+ 221.00715 145.4
[M-H]- 181.03671 139.1
[M+Na-2H]- 203.01866 140.2
[M]+ 182.04344 137.3
[M]- 182.04454 137.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.